2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid

C16H32N2O2 — CID 62205065

IUPAC2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid
SMILESCCCC1CCN(CCC(C)(NC(C)C)C(=O)O)CC1
InChIInChI=1S/C16H32N2O2/c1-5-6-14-7-10-18(11-8-14)12-9-16(4,15(19)20)17-13(2)3/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyINPCVXYAKKGQEQ-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.73
Rot. Bonds8

About 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid

2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid (PubChem CID 62205065) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid
PubChem CID62205065
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid
SMILESCCCC1CCN(CCC(C)(NC(C)C)C(=O)O)CC1
InChIInChI=1S/C16H32N2O2/c1-5-6-14-7-10-18(11-8-14)12-9-16(4,15(19)20)17-13(2)3/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyINPCVXYAKKGQEQ-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 113418654
2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
CID 83061908
2-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(propan-2-ylamino)butanoic acid
CID 79163904
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 63158993
2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide
CID 103501950
4-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 106588596
methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 103502105
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 63635256
2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid
CID 62206652
2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid
CID 62206651
2-methyl-2-(propan-2-ylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butanoic acid
CID 63633516
2-amino-2-methyl-4-(4-propylpiperidin-1-yl)butanamide
CID 62205252

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid (CID 62205065) is 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid is CCCC1CCN(CCC(C)(NC(C)C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid?
The InChIKey is INPCVXYAKKGQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-6-14-7-10-18(11-8-14)12-9-16(4,15(19)20)17-13(2)3/h13-14,17H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid?
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 62205065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).